Pressure effects on Raman scattering from solid HF and DF

Pinnick, D. A.; Katz, A. I.; Hanson, R. C.

doi:10.1103/physrevb.39.8677

Cited by 35 publications

(40 citation statements)

References 24 publications

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“…The translational band is absent, and in place of the librational "shoulder" there is a broad band at 600 cm 1 . In addition, the H-F stretch peak is red-shifted and significantly decreased in intensity, a feature also found in the high pressure Raman studies [9]. As stated above, these two symmetric H-bond features have been observed in low temperature, high pressure experiments on various hydrogen bonded systems [9,10,11,6].…”

Section: Simulations Of Hfsupporting

confidence: 53%

“…125 cm 1 with a noticeable shoulder at ca. 500 cm 1 , both of which correspond closely to the experimental Raman spectrum translational and librational bands at the same pressure [9]. In addition, we observe the H-F stretch vibrational band at ca.…”

Section: Simulations Of Hfmentioning

confidence: 52%

“…In addition, the H-F stretch peak is red-shifted and significantly decreased in intensity, a feature also found in the high pressure Raman studies [9]. As stated above, these two symmetric H-bond features have been observed in low temperature, high pressure experiments on various hydrogen bonded systems [9,10,11,6]. The F-H radial distribution functions (RDF) for the "B" simulations are shown in Figure 8.…”

Section: Simulations Of Hfmentioning

confidence: 59%

“…In particular, few high pressure studies of HF exist, despite the relative simplicity of the molecule. A previous Raman study of solid HF obtained spectra at 25 K and up to 17 GPa [9]. The F-H stretch showed red-shifting and eventual disappearance as a function of pressure, concomitant with blue-shifting and broadening of the librational modes.…”

Section: Introductionmentioning

confidence: 99%

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Chemistry of H2O and HF under Extreme Conditions

Fried¹,

Goldman²,

Kuo³

et al. 2006

AIP Conference Proceedings

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Abstract. The predicted high pressure superionic phases of water and HF are investigated via ab initio molecular dynamics. These phases could potentially be achieved through either static compression with heating or through shock compression. We study water at densities of 2.0-3.0 g/cc (34 -115 GPa) along the 2000K isotherm. We find that extremely rapid (superionic) diffusion of protons occurs in a fluid phase at pressures between 34 and 58 GPa. A transition to a stable body-centered cubic (bcc) O lattice with superionic proton conductivity is observed between 70 and 75 GPa, a much higher pressure than suggested in prior work. We find that all molecular species at pressures greater than 75 GPa are too short lived to be classified as bound states. Up to 95 GPa, we find a solid superionic phase characterized by covalent O-H bonding. Above 95 GPa, a transient network phase is found characterized by symmetric O-H hydrogen bonding with nearly 50% covalent character. Ab initio molecular dynamics simulations of HF were conducted at densities of 1.8 -4.0 g/cc along the 900 K isotherm. According to our simulations, a unique form of (symmetric) hydrogen bonding could play a significant role in superionic conduction. Our work shows that superionic phases could be more prevalent in hydrogen bonded systems than previously thought, such as HCl and HBr.

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Section: Simulations Of Hfsupporting

confidence: 53%

Section: Simulations Of Hfmentioning

confidence: 52%

Section: Simulations Of Hfmentioning

confidence: 59%

Section: Introductionmentioning

confidence: 99%

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Chemistry of H2O and HF under Extreme Conditions

Fried¹,

Goldman²,

Kuo³

et al. 2006

AIP Conference Proceedings

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“…Furthermore, aminoacids are hydrogen-bonded solids and in recent years several similar materials have been studied as a function of the pressure in order to understand the formation . of this especial kind of bond [6]. The study of normal modes of organic materials and the study of the stability of their structures under different external pressure conditions can be useful to tailor materials for nonlinear applications [7].…”

Section: Introductionmentioning

confidence: 99%

Pressure-Induced Phase Transitions in l-Asparagine Crystal.

Moreno¹,

Freire²,

Melo³

et al. 1998

THE REVIEW OF HIGH PRESSURE SCIENCE AND TECHNOLOGY

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Single-crystal samples of monohydrated 1-asparagine,C4 N2 03 H8. H2O, a fundamental aminoacid of the human body have been studied by Raman spectroscopy in a diamond-anvil cell up to pressures of 2.0 GPa. From the analysis of results we observed that the crystal undergoes a series of three phase transitions. All transitions are accompanied by drastic changes in the external modes showing in a clear way the transitions induced by the hydrostatic pressure.[organic crystal, aminoacid, phase transitions, hydrostatic pressure, inelastic light scattering].

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